Supramolecular trap for a transient corannulene trianion

The first structural characterization of the transient triply-reduced state of corannulene (C H ) is accomplished. The X-ray crystallographic study reveals that the C H ˙ trianions, generated by corannulene reduction with metallic cesium, form a novel type of supramolecular sandwich-type assembly, [...

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Published inChemical science (Cambridge) Vol. 7; no. 3; pp. 1954 - 1961
Main Authors Zabula, Alexander V, Spisak, Sarah N, Filatov, Alexander S, Rogachev, Andrey Yu, Clérac, Rodolphe, Petrukhina, Marina A
Format Journal Article
LanguageEnglish
Published England 01.03.2016
Subjects
Assembly
Cesium
Decks
Encapsulation
Holes
Mathematical analysis
Rectangles
Self assembly
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Summary:The first structural characterization of the transient triply-reduced state of corannulene (C H ) is accomplished. The X-ray crystallographic study reveals that the C H ˙ trianions, generated by corannulene reduction with metallic cesium, form a novel type of supramolecular sandwich-type assembly, [Cs //(C H )/4Cs /(C H )//Cs ]. In the product, two triply-charged corannulene decks encapsulate a rectangle of four cesium ions with the external concave bowl cavities being filled by one cesium ion each. The structural investigation is augmented by in-depth theoretical calculations to provide insights into the geometrical features and electronic structure of this unique organometallic self-assembly.
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ISSN:2041-6520
2041-6539
DOI:10.1039/c5sc04385a